(4-cyano-2-fluoranyl-phenyl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid (4-cyano-2-fluoro-benzyl) ester Formula: C20H22FNO3 MolecularWeight: 343.391983

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C20H22FNO3/c21-17-4-13(10-22)1-2-16(17)11-25-18(23)9-19-5-14-3-15(6-19)8-20(24,7-14)12-19/h1-2,4,14-15,24H,3,5-9,11-12H2